CID 82390208

2567502-02-5

Structural Information

Molecular Formula
C13H13ClN2
SMILES
C1CN2C=C(C=C2CN1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H13ClN2/c14-12-3-1-10(2-4-12)11-7-13-8-15-5-6-16(13)9-11/h1-4,7,9,15H,5-6,8H2
InChIKey
OSTJWIOXMAVLQX-UHFFFAOYSA-N
Compound name
7-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07672 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08400 151.3
[M+Na]+ 255.06594 159.9
[M-H]- 231.06944 154.3
[M+NH4]+ 250.11054 169.3
[M+K]+ 271.03988 153.1
[M+H-H2O]+ 215.07398 143.4
[M+HCOO]- 277.07492 164.9
[M+CH3COO]- 291.09057 162.8
[M+Na-2H]- 253.05139 155.5
[M]+ 232.07617 148.6
[M]- 232.07727 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.